input word = C00025040

Metabolite InformationStructural formula
Name Zeraconine
Formula C30H40N2O
Mw 444.31406391
CAS RN 111313-35-0
C_ID C00025040 ,
InChIKey GWMRACWLCOWLPK-RMZLKPIQNA-N
InChICode InChI=1S/C30H40N2O/c1-28-10-4-11-30-25-14-20-13-23-27(30)32(18-28)24(26(28)30)16-29(23,25)15-21(20)17-33-22-7-5-19(6-8-22)9-12-31(2)3/h5-8,15,20,23-27H,4,9-14,16-18H2,1-3H3/t20-,23+,24-,25+,26+,27+,28?,29-,30+/m0/s1
SMILES CN(C)CCc1ccc(OCC2=CC34C[C@H]5[C@@H]6[C@]7(C)CCC[C@]68C([C@H]3C[C@H]2C[C@H]48)N5C7)cc1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro L-Lys
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum zeravchanicum Ref.
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